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4-(4-{[(2-Phenyl­quinazolin-4-yl)­oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate

The title compound, C(21)H(21)N(5)O(2)·0.5H(2)O, has two fused six-membered rings linked to a benzene ring and to a triazole ring, which is connected to a butanol group. The quinazoline ring forms a dihedral angle of 7.88 (8)° with the benzene ring, while the triazole ring is approximately perpendic...

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Autores principales: Ouahrouch, Abdelaaziz, Lazrek, Hassan B., Taourirte, Moha, El Azhari, Mohamed, Saadi, Mohamed, El Ammari, Lahcen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213479/
https://www.ncbi.nlm.nih.gov/pubmed/22091058
http://dx.doi.org/10.1107/S1600536811027280
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author Ouahrouch, Abdelaaziz
Lazrek, Hassan B.
Taourirte, Moha
El Azhari, Mohamed
Saadi, Mohamed
El Ammari, Lahcen
author_facet Ouahrouch, Abdelaaziz
Lazrek, Hassan B.
Taourirte, Moha
El Azhari, Mohamed
Saadi, Mohamed
El Ammari, Lahcen
author_sort Ouahrouch, Abdelaaziz
collection PubMed
description The title compound, C(21)H(21)N(5)O(2)·0.5H(2)O, has two fused six-membered rings linked to a benzene ring and to a triazole ring, which is connected to a butanol group. The quinazoline ring forms a dihedral angle of 7.88 (8)° with the benzene ring, while the triazole ring is approximately perpendicular to the benzene ring and to the quinazoline system, making dihedral angles of 84.38 (10) and 76.55 (8)°, respectively. The stereochemical arrangement of the butanol chain, with a C—C—C—C torsion angle of 178.34 (19)°, corresponds to an anti­periplanar conformation. However the position of the –OH group is split into two very close [O—O = 0.810(3) Å] positions of equal occupancy. The crystal structure features O—H⋯N and O—H⋯O hydrogen bonds, building an infinite three-dimensional network. The water molecule is located on a half-filled general position.
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spelling pubmed-32134792011-11-16 4-(4-{[(2-Phenyl­quinazolin-4-yl)­oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate Ouahrouch, Abdelaaziz Lazrek, Hassan B. Taourirte, Moha El Azhari, Mohamed Saadi, Mohamed El Ammari, Lahcen Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(21)H(21)N(5)O(2)·0.5H(2)O, has two fused six-membered rings linked to a benzene ring and to a triazole ring, which is connected to a butanol group. The quinazoline ring forms a dihedral angle of 7.88 (8)° with the benzene ring, while the triazole ring is approximately perpendicular to the benzene ring and to the quinazoline system, making dihedral angles of 84.38 (10) and 76.55 (8)°, respectively. The stereochemical arrangement of the butanol chain, with a C—C—C—C torsion angle of 178.34 (19)°, corresponds to an anti­periplanar conformation. However the position of the –OH group is split into two very close [O—O = 0.810(3) Å] positions of equal occupancy. The crystal structure features O—H⋯N and O—H⋯O hydrogen bonds, building an infinite three-dimensional network. The water molecule is located on a half-filled general position. International Union of Crystallography 2011-07-13 /pmc/articles/PMC3213479/ /pubmed/22091058 http://dx.doi.org/10.1107/S1600536811027280 Text en © Ouahrouch et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Ouahrouch, Abdelaaziz
Lazrek, Hassan B.
Taourirte, Moha
El Azhari, Mohamed
Saadi, Mohamed
El Ammari, Lahcen
4-(4-{[(2-Phenyl­quinazolin-4-yl)­oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate
title 4-(4-{[(2-Phenyl­quinazolin-4-yl)­oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate
title_full 4-(4-{[(2-Phenyl­quinazolin-4-yl)­oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate
title_fullStr 4-(4-{[(2-Phenyl­quinazolin-4-yl)­oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate
title_full_unstemmed 4-(4-{[(2-Phenyl­quinazolin-4-yl)­oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate
title_short 4-(4-{[(2-Phenyl­quinazolin-4-yl)­oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate
title_sort 4-(4-{[(2-phenyl­quinazolin-4-yl)­oxy]methyl}-1h-1,2,3-triazol-1-yl)butan-1-ol hemihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213479/
https://www.ncbi.nlm.nih.gov/pubmed/22091058
http://dx.doi.org/10.1107/S1600536811027280
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